9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole

C57H44N4 — CID 170259796

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc3)cc2C1(C)C
InChIInChI=1S/C57H44N4/c1-56(2)49-21-13-11-19-45(49)46-33-29-42(35-50(46)57(56,3)4)37-23-25-38(26-24-37)43-30-34-48-47-20-12-14-22-51(47)61(52(48)36-43)44-31-27-41(28-32-44)55-59-53(39-15-7-5-8-16-39)58-54(60-55)40-17-9-6-10-18-40/h5-36H,1-4H3
InChIKeyUSFCJWMIHKZRQC-UHFFFAOYSA-N
MW785.01 g/mol
LogP14.54
Rot. Bonds6

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole (PubChem CID 170259796) has the molecular formula C57H44N4 and a molecular weight of 785.01 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
PubChem CID170259796
Molecular FormulaC57H44N4
Molecular Weight785.01 g/mol
Exact Mass784.36
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc3)cc2C1(C)C
InChIInChI=1S/C57H44N4/c1-56(2)49-21-13-11-19-45(49)46-33-29-42(35-50(46)57(56,3)4)37-23-25-38(26-24-37)43-30-34-48-47-20-12-14-22-51(47)61(52(48)36-43)44-31-27-41(28-32-44)55-59-53(39-15-7-5-8-16-39)58-54(60-55)40-17-9-6-10-18-40/h5-36H,1-4H3
InChIKeyUSFCJWMIHKZRQC-UHFFFAOYSA-N
XLogP14.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.01
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259795
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259852
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole
CID 163493829
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole (CID 170259796) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc3)cc2C1(C)C.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole?
The InChIKey is USFCJWMIHKZRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N4/c1-56(2)49-21-13-11-19-45(49)46-33-29-42(35-50(46)57(56,3)4)37-23-25-38(26-24-37)43-30-34-48-47-20-12-14-22-51(47)61(52(48)36-43)44-31-27-41(28-32-44)55-59-53(39-15-7-5-8-16-39)58-54(60-55)40-17-9-6-10-18-40/h5-36H,1-4H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole has a molecular weight of 785.01 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole is sourced from PubChem (CID 170259796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).